N1,N3-bis[2,3-bis(oxidanyl)propyl]-2,4,6-tris(iodanyl)-5-(2-oxidanylidenepropylamino)benzene-1,3-dicarboxamide

Systemtic Name: N1,N3-bis[2,3-bis(oxidanyl)propyl]-2,4,6-tris(iodanyl)-5-(2-oxidanylidenepropylamino)benzene-1,3-dicarboxamide Openeye Name: 5-(acetonylamino)-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-benzene-1,3-dicarboxamide CAS Name: N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-(2-oxopropylamino)benzene-1,3-dicarboxamide IUPAC Name: 1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-(2-oxopropylamino)benzene-1,3-dicarboxamide Traditional Name: 5-(acetonylamino)-N,N'-diglyceryl-2,4,6-triiodo-isophthalamide Formula: C17H22I3N3O7 MolecularWeight: 761.08589

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CNC1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I

Isomeric SMILES

CC(=O)CNC1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I

InChI

InChI=1S/C17H22I3N3O7/c1-7(26)2-21-15-13(19)10(16(29)22-3-8(27)5-24)12(18)11(14(15)20)17(30)23-4-9(28)6-25/h8-9,21,24-25,27-28H,2-6H2,1H3,(H,22,29)(H,23,30)